3-[3-[[(4-cyanophenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-[[(4-cyanophenyl)carbonylamino]methyl]-4-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[3-[[(4-cyanobenzoyl)amino]methyl]-4-methoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[3-[[[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-[[(4-cyanobenzoyl)amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[3-[[(4-cyanobenzoyl)amino]methyl]-4-methoxy-phenyl]-2-isopropoxy-propionic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)OC(CC1=CC(=C(C=C1)OC)CNC(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C22H24N2O5/c1-14(2)29-20(22(26)27)11-16-6-9-19(28-3)18(10-16)13-24-21(25)17-7-4-15(12-23)5-8-17/h4-10,14,20H,11,13H2,1-3H3,(H,24,25)(H,26,27)